K623-0092 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzamide

K623-0092 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzamide
K623-0092 Screening compound: 3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K623-0092
3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K623-0092

Molecular Formula

C34H31F3N4O5 (C34 H31 F3 N4 O5)

Compound Name

3-[(3,5-dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzamide

IUPAC name

3-(35-dimethoxybenzamido)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-[3-(trifluoromethyl)phenyl]benzamide

SMILES

COc1cc(C(Nc(cc(cc2)C(Nc3cccc(C(F)(F)F)c3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc(OC)c1

InChI

InChI=1S/C34H31F3N4O5/c1-45-26-12-22(13-27(16-26)46-2)33(44)39-28-14-21(32(43)38-25-6-3-5-24(15-25)34(35,36)37)9-10-30(28)40-17-20-11-23(19-40)29-7-4-8-31(42)41(29)18-20/h3-10,12-16,20,23H,11,17-19H2,1-2H3,(H,38,43)(H,39,44)

InChI Key

NJYOOAZDRUMPLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.551

Distribution Coefficient, logD

6.498

Water Solubility, LogSw

-5.76

Polar Surface Area

79.661

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K623-0092 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K623-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K623-0092?
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What is the minimum amount of K623-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K623-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K623-0092
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K623-0092 available by request